Solvent dependence of the molecular structure of hydrogen cyanide determined by NMR of partially oriented molecules

The chemical shifts and the direct and indirect spin–spin coupling constants of HCN have been measured in various liquid crystal solvents. The sign of the indirect coupling constant J(¹⁵NH) is found to be negative. The ¹³C shift anisotropy is 334±20 ppm. The molecular structure apparently varies considerably with the solvent used. These solvent effects, which can be attributed to a correlation between vibration and rotation of the molecule, are corrected.